SCHEMBL4489786

SCHEMBL4489786

COc1cc(Cl)c(N2CCN(C(=O)[C@H](NC(=O)Cc3ccncc3)C(C)C)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.42
RORC P51449 1/20 0.42
GRM5 P41594 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
P2RY12 Q9H244 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4489789 1.00 CCR1 (0.44) CCR1NPSR1LMNAKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5440448 0.94 CCR1 (0.42) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL4489756 0.87 LMNA (0.50) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL4489758 0.87 LMNA (0.50) CCR1NPSR1LMNAKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5444922 0.82 LMNA (0.47) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL15164212 0.81 GRM5 (0.52) NPSR1LMNAKMT2AALDH1A1GRM5
SCHEMBL13606408 0.76 CCR1 (0.64) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL4487454 0.73 KMT2A (0.55) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL4487457 0.73 KMT2A (0.55) CCR1NPSR1LMNAKMT2AALDH1A1
SCHEMBL10291669 0.72 CCR1 (0.81) CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885NPSR1 152/4885LMNA 4043/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885NPSR1 152/4885LMNA 4043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.